phenyl(pyridin-4-yl)diazene

C11H9N3 — CID 17385

IUPACphenyl(pyridin-4-yl)diazene
SMILESc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C11H9N3/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9H/b14-13+
InChIKeySTGZUKHALNSQAG-BUHFOSPRSA-N
MW183.21 g/mol
LogP3.50
Rot. Bonds2

About phenyl(pyridin-4-yl)diazene

phenyl(pyridin-4-yl)diazene (PubChem CID 17385) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is phenyl(pyridin-4-yl)diazene.

Molecular Properties

Compound Namephenyl(pyridin-4-yl)diazene
PubChem CID17385
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Namephenyl(pyridin-4-yl)diazene
SMILESc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C11H9N3/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9H/b14-13+
InChIKeySTGZUKHALNSQAG-BUHFOSPRSA-N
XLogP3.50
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-4-yl)diazene?
The IUPAC name of phenyl(pyridin-4-yl)diazene (CID 17385) is phenyl(pyridin-4-yl)diazene.
What is the SMILES notation for phenyl(pyridin-4-yl)diazene?
The canonical SMILES for phenyl(pyridin-4-yl)diazene is c1ccc(/N=N/c2ccncc2)cc1.
What is the InChIKey of phenyl(pyridin-4-yl)diazene?
The InChIKey is STGZUKHALNSQAG-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9H/b14-13+.
What are the key properties of phenyl(pyridin-4-yl)diazene?
phenyl(pyridin-4-yl)diazene has a molecular weight of 183.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-4-yl)diazene is sourced from PubChem (CID 17385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).